! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -0.8883834544   1.6770411566  -0.5182963761
Cl  -5.8191326402  -0.4723246519   0.1642663172
O    0.0093591437  -1.0045915797   0.1843803255
O    2.7724046666  -0.6660721661  -2.0030630117
N    2.4302206362  -0.1026787022   0.1799503609
C    0.6579757683  -1.1958673891  -1.0744957176
C   -1.3431860737  -0.8757700865   0.1502401023
C    2.0661439652  -0.6173477905  -1.0077636073
C    0.7013408659  -2.6678504971  -1.4425643632
C   -3.3152438448   0.5317568875  -0.1881888998
C   -1.9316461614   0.3447254189  -0.1675839818
C   -2.1515772162  -1.9527411291   0.4719251675
C    3.6552435468   0.4488953223   0.5750778579
C   -4.0884394360  -0.5821769586   0.1425465013
C   -3.5256653263  -1.8047557119   0.4737813661
C   -3.8916825943   1.8655137739  -0.5435320090
C    3.7360089044   0.8834037636   1.9001284432
C    4.7696333722   0.5796700765  -0.2532368200
C    4.9054266077   1.4353947684   2.3915109613
C    5.9370569265   1.1353586012   0.2550940189
C    6.0181882891   1.5652981597   1.5704606253
H    0.1307755299  -0.6426625018  -1.8590456211
H   -0.3089708937  -3.0704675719  -1.5134554907
H    1.2557140285  -3.2464847248  -0.7036055366
H    1.1713793029  -2.8020686126  -2.4147065278
H    1.7197212066  -0.1233952722   0.8976052080
H   -1.7047474346  -2.9019864142   0.7352843672
H   -4.1565271058  -2.6443315007   0.7292993873
H   -3.5852185083   2.6271318365   0.1743173613
H   -4.9768955678   1.8501049448  -0.5637380379
H   -3.5477635091   2.1895300764  -1.5259647533
H    2.8753419136   0.7837929304   2.5512010361
H    4.7439598893   0.2576143908  -1.2808402417
H    4.9445917985   1.7632661808   3.4217771560
H    6.7948960620   1.2300304691  -0.3977331434
H    6.9343136811   1.9953325103   1.9519905801
*